[4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] ester Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)C=CC2=CC=C(C=C2)OC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H15BrN2O4/c1-13(24)23-19-12-15(10-11-22-19)3-2-14-4-6-16(7-5-14)26-20(25)17-8-9-18(21)27-17/h2-12H,1H3,(H,22,23,24)/b3-2+